tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Base Information

• Chemical Name: tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS No.: 180080-07-3
• Molecular Formula: C18H28 N2 O4
• Molecular Weight: 336.43
• European Community (EC) Number: 864-315-2
• DSSTox Substance ID: DTXSID60442588
• Nikkaji Number: J1.120.333G
• Mol file: 180080-07-3.mol

Synonyms:180080-07-3;tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;L-Phenylalanine, 4-amino-N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester;367258-86-4;N-BOC-4-AMINO-L-PHENYLALANINE-T-BUTYL ESTER;SCHEMBL10143850;DTXSID60442588;LQKGPNIRNXMQCA-AWEZNQCLSA-N;N-Boc-4-amino-L-phenylalanine tert-butyl ester;EN300-7438907;N-(tert-Butyloxycarbonyl)-4-amino-L-phenylalanine tert-butyl ester;(S)-tert-butyl 3-(4-aminophenyl)-2-(tert-butoxycarbonylamino)propanoate;tert-butyl (2S)-3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoate

Chemical Property of tert-butyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 483.026°C at 760 mmHg
• Flash Point: 245.925°C
• PSA: 94.14000
• Density: 1.1g/cm³
• LogP: 3.83190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 336.20490738
• Heavy Atom Count: 24
• Complexity: 429

Purity/Quality:

N-Boc-4-amino-L-phenylalaninet-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)N)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)N)NC(=O)OC(C)(C)C
• Uses: N-Boc-4-amino-L-phenylalanine t-Butyl Ester is used as a reagent in the preparation of MK-7655, a β-lactamase inhibitor with a bicyclic urea core and heterocyclic side chains for combination therapy with primaxin.